2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide

C24H24N4O4 — CID 11590097

IUPAC2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1
InChIInChI=1S/C24H24N4O4/c1-15(16-7-5-4-6-8-16)25-21(29)14-32-18-11-9-17(10-12-18)19-13-20-22(26-19)23(30)28(3)24(31)27(20)2/h4-13,15,26H,14H2,1-3H3,(H,25,29)
InChIKeySGLDYCXUSGHLPC-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.49
Rot. Bonds6

About 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide

2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide (PubChem CID 11590097) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide
PubChem CID11590097
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1
InChIInChI=1S/C24H24N4O4/c1-15(16-7-5-4-6-8-16)25-21(29)14-32-18-11-9-17(10-12-18)19-13-20-22(26-19)23(30)28(3)24(31)27(20)2/h4-13,15,26H,14H2,1-3H3,(H,25,29)
InChIKeySGLDYCXUSGHLPC-UHFFFAOYSA-N
XLogP2.49
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide (CID 11590097) is 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide?
The InChIKey is SGLDYCXUSGHLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-15(16-7-5-4-6-8-16)25-21(29)14-32-18-11-9-17(10-12-18)19-13-20-22(26-19)23(30)28(3)24(31)27(20)2/h4-13,15,26H,14H2,1-3H3,(H,25,29).
What are the key properties of 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide?
2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 11590097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).